3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H33N5O3S — CID 3738556

IUPAC3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nn(C)c2ncc(C(=O)N3CCC(N4C(=O)OCC4C(C)C)CC3)c(SC(C)C)c12
InChIInChI=1S/C23H33N5O3S/c1-13(2)18-12-31-23(30)28(18)16-7-9-27(10-8-16)22(29)17-11-24-21-19(15(5)25-26(21)6)20(17)32-14(3)4/h11,13-14,16,18H,7-10,12H2,1-6H3
InChIKeyGXLMUXGWFCXCER-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.86
Rot. Bonds5

About 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 3738556) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID3738556
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nn(C)c2ncc(C(=O)N3CCC(N4C(=O)OCC4C(C)C)CC3)c(SC(C)C)c12
InChIInChI=1S/C23H33N5O3S/c1-13(2)18-12-31-23(30)28(18)16-7-9-27(10-8-16)22(29)17-11-24-21-19(15(5)25-26(21)6)20(17)32-14(3)4/h11,13-14,16,18H,7-10,12H2,1-6H3
InChIKeyGXLMUXGWFCXCER-UHFFFAOYSA-N
XLogP3.86
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 3738556) is 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1nn(C)c2ncc(C(=O)N3CCC(N4C(=O)OCC4C(C)C)CC3)c(SC(C)C)c12.
What is the InChIKey of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GXLMUXGWFCXCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-13(2)18-12-31-23(30)28(18)16-7-9-27(10-8-16)22(29)17-11-24-21-19(15(5)25-26(21)6)20(17)32-14(3)4/h11,13-14,16,18H,7-10,12H2,1-6H3.
What are the key properties of 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 459.62 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3738556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).